Structure of PDB 7qbt Chain C Binding Site BS03

Receptor Information
>7qbt Chain C (length=404) Species: 2214 (Methanosarcina acetivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVVVDVGGNPGVDCKGFCKYCYFKKVKDIQPLGCKYCLPFKKGCDYCTRS
VKESYSGFKSLQMVLEETANKLEVKKFTVSGGGDLSCYPELKSLITFLSQ
FNTPIHLGYTSGKGFSKPDDALFYIDNGVTEVSFTVFATDPALRAEYMKD
PEPEASIQVLRDFCTHCEVYGAIVLLPGINDGEVLEKTLCDLENMGAKGA
ILMRFANFQENGLILNNSPIIPGITPHTVSEFTEIVRSSAEKHPSIRITG
TPLEDPLIGSPFAIRNVPEALLKLPRVSKKATIITGQVAASRLTEIFEAL
GGTVNVIPVKKDIGCLITIDDFKALDLSEVTETVFIPGRAFVHDMEIKEA
LRRDGVDRIVRRGPERLSVDGEMSIGMTREEVLELEVENFTELIGQINSL
GLPL
Ligand information
Ligand IDMTA
InChIInChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKeyWUUGFSXJNOTRMR-IOSLPCCCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N
CACTVS 3.341CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
FormulaC11 H15 N5 O3 S
Name5'-DEOXY-5'-METHYLTHIOADENOSINE
ChEMBLCHEMBL277041
DrugBankDB02282
ZINCZINC000004228245
PDB chain7qbt Chain C Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qbt Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y21 Y23 Y115 V180 M209 F211 A212
Binding residue
(residue number reindexed from 1)		Y20 Y22 Y109 V174 M203 F205 A206
Annotation score3
Enzymatic activity
Enzyme Commision number 2.1.1.379: [methyl coenzyme M reductase]-L-arginine C-5-methyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008168 methyltransferase activity
GO:0035244 protein-arginine C-methyltransferase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0032259 methylation
GO:0043687 post-translational protein modification

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7qbt, PDBe:7qbt, PDBj:7qbt
PDBsum7qbt
PubMed35110733
UniProtQ8THG6|MCRAM_METAC [Methyl coenzyme M reductase]-L-arginine C-5-methyltransferase (Gene Name=MA_4551)

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